Cas no 773874-04-7 (3-CHLORO-4-(TRIFLUOROMETHOXY)METHYLBENZOATE)

3-Chloro-4-(trifluoromethoxy)methylbenzoate is a fluorinated aromatic ester with a chloro-substituted benzene ring and a trifluoromethoxy functional group. This compound is of interest in organic synthesis and pharmaceutical research due to its unique electronic and steric properties imparted by the trifluoromethoxy group, which enhances lipophilicity and metabolic stability. The presence of both chloro and trifluoromethoxy substituents makes it a versatile intermediate for further functionalization, particularly in the development of agrochemicals and bioactive molecules. Its well-defined structure allows for precise modifications, making it valuable in the design of advanced materials and specialty chemicals. The compound is typically handled under controlled conditions due to its reactivity.
3-CHLORO-4-(TRIFLUOROMETHOXY)METHYLBENZOATE structure
773874-04-7 structure
Product Name:3-CHLORO-4-(TRIFLUOROMETHOXY)METHYLBENZOATE
CAS No:773874-04-7
MF:C9H6ClF3O3
MW:254.590352535248
MDL:MFCD04972752
CID:983407
PubChem ID:25067384
Update Time:2025-05-28

3-CHLORO-4-(TRIFLUOROMETHOXY)METHYLBENZOATE Chemical and Physical Properties

Names and Identifiers

    • 3-CHLORO-4-(TRIFLUOROMETHOXY)METHYLBENZOATE
    • 3-chloro-4-(trifluoromethoxymethyl)benzoate
    • 3-Chloro-4-(trifluoromethoxy)benzoic acid methyl ester
    • CID 25067384
    • 773874-04-7
    • MFCD04972752
    • Methyl 3-chloro-4-(trifluoromethoxy)benzoate
    • MDL： MFCD04972752
    • Inchi： 1S/C9H6ClF3O3/c1-15-8(14)5-2-3-7(6(10)4-5)16-9(11,12)13/h2-4H,1H3
    • InChI Key： UXOMTZKOKUQMPT-UHFFFAOYSA-N
    • SMILES： ClC1C=C(C(=O)OC)C=CC=1OC(F)(F)F

Computed Properties

  • Exact Mass: 253.99600
  • Monoisotopic Mass: 253.9957562g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 257
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.6
  • Topological Polar Surface Area: 35.5?2

Experimental Properties

  • PSA: 35.53000
  • LogP: 3.02520

3-CHLORO-4-(TRIFLUOROMETHOXY)METHYLBENZOATE Security Information

3-CHLORO-4-(TRIFLUOROMETHOXY)METHYLBENZOATE Customs Data

  • HS CODE：2918990090
  • Customs Data：

    China Customs Code:

    2918990090

    Overview:

    2918990090. Other additional oxy carboxylic acids(Including anhydrides\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

3-CHLORO-4-(TRIFLUOROMETHOXY)METHYLBENZOATE Pricemore >>

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abcr
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3-Chloro-4-(trifluoromethoxy)methylbenzoate; 98%
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abcr
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1PlusChem
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1PlusChem
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